2-chloro-4-iodo-6-methylsulfanylpyrimidine

C5H4ClIN2S — CID 139215040

IUPAC2-chloro-4-iodo-6-methylsulfanylpyrimidine
SMILESCSc1cc(I)nc(Cl)n1
InChIInChI=1S/C5H4ClIN2S/c1-10-4-2-3(7)8-5(6)9-4/h2H,1H3
InChIKeyDUCZPJWRAJSHNG-UHFFFAOYSA-N
MW286.53 g/mol
LogP2.46
Rot. Bonds1

About 2-chloro-4-iodo-6-methylsulfanylpyrimidine

2-chloro-4-iodo-6-methylsulfanylpyrimidine (PubChem CID 139215040) has the molecular formula C5H4ClIN2S and a molecular weight of 286.53 g/mol. Its IUPAC name is 2-chloro-4-iodo-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-iodo-6-methylsulfanylpyrimidine
PubChem CID139215040
Molecular FormulaC5H4ClIN2S
Molecular Weight286.53 g/mol
Exact Mass285.88
IUPAC Name2-chloro-4-iodo-6-methylsulfanylpyrimidine
SMILESCSc1cc(I)nc(Cl)n1
InChIInChI=1S/C5H4ClIN2S/c1-10-4-2-3(7)8-5(6)9-4/h2H,1H3
InChIKeyDUCZPJWRAJSHNG-UHFFFAOYSA-N
XLogP2.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 88738544
2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
CID 119004261
N,N-dimethyl-2,6-bis(methylsulfanyl)pyridin-4-amine
CID 11117414
4-bromo-2,6-bis(methylsulfanyl)pyrimidine
CID 102390666
2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine
CID 130116427
4-chloro-6-methylsulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768685
4-ethyl-2,6-bis(methylsulfanyl)pyrimidine
CID 130708904
2-chloro-3-deuterio-6-methylsulfanylpyridine
CID 10953817
2-chloro-6-methylsulfanylpyridine
CID 1477089
2-chloro-4,6-dimethylpyrimidine
CID 20550
2-fluoro-3-iodo-6-methylsulfanylpyridine
CID 131072382
2-methyl-6-methylsulfanylpyrimidin-4-amine
CID 80885206

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-6-methylsulfanylpyrimidine?
The IUPAC name of 2-chloro-4-iodo-6-methylsulfanylpyrimidine (CID 139215040) is 2-chloro-4-iodo-6-methylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-4-iodo-6-methylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-4-iodo-6-methylsulfanylpyrimidine is CSc1cc(I)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-iodo-6-methylsulfanylpyrimidine?
The InChIKey is DUCZPJWRAJSHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClIN2S/c1-10-4-2-3(7)8-5(6)9-4/h2H,1H3.
What are the key properties of 2-chloro-4-iodo-6-methylsulfanylpyrimidine?
2-chloro-4-iodo-6-methylsulfanylpyrimidine has a molecular weight of 286.53 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-6-methylsulfanylpyrimidine is sourced from PubChem (CID 139215040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).